Physical Sciences and Mathematics Commons^™

Preliminary Results In Working With Molecular Modeling Software, Chris Hansen, Ray Hefferlin

Senior Research Projects

In order to help facilitate the growing need for an understanding of periodic trends in molecules, an attempt was made to use a molecular modeling software package (ChemCad) to make a series of ab initio calculations of various properties of diaton1ic molecules. limitations of the package precluded calculations for strictly diatomic molecules, as well as precluding consecutive substitution of a large series of atoms into a larger molecule. This attempt does have significance in that it has allowed the physics department at Southern College to more effectively communicate with molecular modeling software developers and users.